(3,5,6-三甲基吡嗪-2-基)甲基吡啶-3-羧酸酯 | 595598-66-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: (3,5,6-三甲基吡嗪-2-基)甲基吡啶-3-羧酸酯
• 英文名称: 3-Pyridinecarboxylic acid, (trimethylpyrazinyl)methyl ester
• 英文别名: (3,5,6-trimethylpyrazin-2-yl)methyl pyridine-3-carboxylate
• CAS: 595598-66-6
• 化学式: C₁₄H₁₅N₃O₂
• 分子量: 257.292
• InChiKey: VGEJYFJPSPQAAX-UHFFFAOYSA-N

物化性质

• 沸点：
  382.5±37.0 °C(Predicted)
• 密度：
  1.188±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  65
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  川芎嗪 在 4-二甲氨基吡啶 、 sodium hydroxide 、 双氧水 、 溶剂黄146 、 N,N'-二环己基碳二亚胺 作用下， 生成 (3,5,6-三甲基吡嗪-2-基)甲基吡啶-3-羧酸酯
  参考文献：
  名称：

  Synthesis of the novel liqustrazine derivatives and Their protective effect on injured vascular endothelial cell damaged by hydrogen peroxide

  摘要：

  A series of novel 2-acyloxymethyl-3,5,6-trimethylpyrazine derivatives was designed and synthesized. Most compounds were found to be 1.5-4.5-fold higher potency than tetramethylpyrazine (TMP) in stimulating the proliferation of normal vascular endothelial cells and in protecting against hyperoxic acute injury. The most active one is the 2-nicotinoyl ester 5a exhibiting the maximum proliferation rate (P-max) of 88.57% at the concentration of 0.1 mmol L-1. Structure-activity relationships of these compounds were discussed. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00359-7

文献信息

• Synthesis of the novel liqustrazine derivatives and Their protective effect on injured vascular endothelial cell damaged by hydrogen peroxide
  作者：Xinyong Liu、Rui Zhang、Wenfang Xu、Chaowu Li、Quanqin Zhao、Xingpo Wang

  DOI：10.1016/s0960-894x(03)00359-7

  日期：2003.7

  A series of novel 2-acyloxymethyl-3,5,6-trimethylpyrazine derivatives was designed and synthesized. Most compounds were found to be 1.5-4.5-fold higher potency than tetramethylpyrazine (TMP) in stimulating the proliferation of normal vascular endothelial cells and in protecting against hyperoxic acute injury. The most active one is the 2-nicotinoyl ester 5a exhibiting the maximum proliferation rate (P-max) of 88.57% at the concentration of 0.1 mmol L-1. Structure-activity relationships of these compounds were discussed. (C) 2003 Elsevier Science Ltd. All rights reserved.